6-[[2-(4-fluorophenyl)-6-oxidanyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-1H-indole-2-carboxylic acid

Systemtic Name: 6-[[2-(4-fluorophenyl)-6-oxidanyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-1H-indole-2-carboxylic acid Openeye Name: 6-[[2-(4-fluorophenyl)-6-hydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-1H-indole-2-carboxylic acid CAS Name: 6-[[2-(4-fluorophenyl)-6-hydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-1H-indole-2-carboxylic acid IUPAC Name: 6-[[2-(4-fluorophenyl)-6-hydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-1H-indole-2-carboxylic acid Traditional Name: 6-[[2-(4-fluorophenyl)-6-hydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-1H-indole-2-carboxylic acid Formula: C25H21FN2O3 MolecularWeight: 416.444243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=C1C=C(C=C2)O)CC3=CC4=C(C=C3)C=C(N4)C(=O)O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(C(C2=C1C=C(C=C2)O)CC3=CC4=C(C=C3)C=C(N4)C(=O)O)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H21FN2O3/c26-18-3-5-19(6-4-18)28-10-9-16-13-20(29)7-8-21(16)24(28)12-15-1-2-17-14-23(25(30)31)27-22(17)11-15/h1-8,11,13-14,24,27,29H,9-10,12H2,(H,30,31)